1-(4-(4-(Dimethylamino)Piperidine-1-Carbonyl)Phenyl)-3-(4-(4,6-Dimorpholino-1,3,5-Triazin-2-Yl)Phenyl)Urea 1-(4-(4-(二甲氨基)哌啶-1-羰基)苯基)-3-(4-(4,6-二吗啉-1,3,5-三嗪-2-基)苯基)脲
CAS 1197160-78-3 MFCD297160783
化学结构图
SMILES: CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1
化学属性
| Mol. Weight | 615.72 |
|---|---|
| Mol. Formula | C32H41N9O4 |
| Density | 1.364 |
| Appearance | white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Synonym | N-[4-[[4-(Dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N'-[4-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]phenyl]urea PKI587; PKI-587; PKI 587; PF05212384; PF-05212384; PF 05212384; PF5212384; PF-5212384; PF 5212384; Gedatolisib. |
|---|---|
| CAS Number | 1197160-78-3 |
| Chemical Name | 1-(4-(4-(Dimethylamino)Piperidine-1-Carbonyl)Phenyl)-3-(4-(4,6-Dimorpholino-1,3,5-Triazin-2-Yl)Phenyl)Urea |
| Chemical Name Translation | 1-(4-(4-(二甲氨基)哌啶-1-羰基)苯基)-3-(4-(4,6-二吗啉-1,3,5-三嗪-2-基)苯基)脲 |
| Formula | C32H41N9O4 |
| IUPAC Name | 1-(4-(4-(dimethylamino)piperidine-1-carbonyl)phenyl)-3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)urea |
| InChIKey | DWZAEMINVBZMHQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C32H41N9O4/c1-38(2)27-11-13-39(14-12-27)29(42)24-5-9-26(10-6-24)34-32(43)33-25-7-3-23(4-8-25)28-35-30(40-15-19-44-20-16-40)37-31(36-28)41-17-21-45-22-18-41/h3-10,27H,11-22H2,1-2H3,(H2,33,34,43) |
| Canonical SMILES | O=C(NC1=CC=C(C2=NC(N3CCOCC3)=NC(N4CCOCC4)=N2)C=C1)NC5=CC=C(C(N6CCC(N(C)C)CC6)=O)C=C5 |
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产品应用
- Gedatolisib, also known as PKI-587 and PF-05212384, is an agent targeting the phosphatidylinositol 3 kinase (PI3K) and mammalian target of rapamycin (mTOR) in the PI3K/mTOR signaling pathway, with potential antineoplastic activity. Upon intravenous administration, PI3K/mTOR kinase inhibitor PKI-587 inhibits both PI3K and mTOR kinases, which may result in apoptosis and growth inhibition of cancer cells overexpressing PI3K/mTOR. Activation of the PI3K/mTOR pathway promotes cell growth, survival, and resistance to chemotherapy and radiotherapy; mTOR, a serine/threonine kinase downstream of PI3K, may also be activated independent of PI3K.
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